9,10-dimethylundec-9-en-5-one

C13H24O — CID 140691978

IUPAC9,10-dimethylundec-9-en-5-one
SMILESCCCCC(=O)CCCC(C)=C(C)C
InChIInChI=1S/C13H24O/c1-5-6-9-13(14)10-7-8-12(4)11(2)3/h5-10H2,1-4H3
InChIKeyNDENEAVUTWIWKN-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.27
Rot. Bonds7

About 9,10-dimethylundec-9-en-5-one

9,10-dimethylundec-9-en-5-one (PubChem CID 140691978) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 9,10-dimethylundec-9-en-5-one.

Molecular Properties

Compound Name9,10-dimethylundec-9-en-5-one
PubChem CID140691978
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name9,10-dimethylundec-9-en-5-one
SMILESCCCCC(=O)CCCC(C)=C(C)C
InChIInChI=1S/C13H24O/c1-5-6-9-13(14)10-7-8-12(4)11(2)3/h5-10H2,1-4H3
InChIKeyNDENEAVUTWIWKN-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;2,3-dimethylhept-2-ene
CID 159232241
8,9-dimethyldec-8-en-3-one
CID 141270649
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CID 174820687
dodecan-5-one
CID 29771
tridecane-4,9-dione
CID 166698782
2,3-dimethyltridec-2-ene
CID 22376033
methane;2,3,7,8-tetramethylnona-2,7-diene
CID 159020428
2,3-dimethylhept-2-ene;ethane;2-methylbutane
CID 163368789
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethylundec-9-en-5-one?
The IUPAC name of 9,10-dimethylundec-9-en-5-one (CID 140691978) is 9,10-dimethylundec-9-en-5-one.
What is the SMILES notation for 9,10-dimethylundec-9-en-5-one?
The canonical SMILES for 9,10-dimethylundec-9-en-5-one is CCCCC(=O)CCCC(C)=C(C)C.
What is the InChIKey of 9,10-dimethylundec-9-en-5-one?
The InChIKey is NDENEAVUTWIWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-5-6-9-13(14)10-7-8-12(4)11(2)3/h5-10H2,1-4H3.
What are the key properties of 9,10-dimethylundec-9-en-5-one?
9,10-dimethylundec-9-en-5-one has a molecular weight of 196.33 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylundec-9-en-5-one is sourced from PubChem (CID 140691978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).